Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester

InChI

InChI=1S/C18H15ClFNO6/c19-14-6-2-7-15(20)18(14)27-17(23)9-3-8-16(22)26-11-12-4-1-5-13(10-12)21(24)25/h1-2,4-7,10H,3,8-9,11H2

InChI Key

YGFDSOFEVKGBLX-UHFFFAOYSA-N

Formula

C18H15ClFNO6

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

395.77

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9650		Relay (1.0) Calculated Property
ΔfG°	-342.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-725.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.50	kJ/mol	Joback Calculated Property
ΔvapH°	122.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-5.21		Relay (1.0) Calculated Property
logPoct/wat	4.206		Crippen Calculated Property
McVol	263.270	ml/mol	McGowan Calculated Property
Pc	1878.90	kPa	Joback Calculated Property
Inp	[3037.00; 3037.00]
Inp	3037.00		NIST
Inp	3037.00		NIST
Tboil	660.81	K	Relay (1.0) Calculated Property
Tc	969.70	K	Relay (1.0) Calculated Property
Tfus	337.84	K	Relay (1.0) Calculated Property
Vc	0.938	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.90; 810.86]	J/mol×K	[1020.66; 1266.05]
Cp,gas	782.90	J/mol×K	1020.66	Joback Calculated Property
Cp,gas	790.78	J/mol×K	1061.56	Joback Calculated Property
Cp,gas	797.32	J/mol×K	1102.46	Joback Calculated Property
Cp,gas	802.56	J/mol×K	1143.36	Joback Calculated Property
Cp,gas	806.54	J/mol×K	1184.25	Joback Calculated Property
Cp,gas	809.30	J/mol×K	1225.15	Joback Calculated Property
Cp,gas	810.86	J/mol×K	1266.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.